3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine

C13H11BrN2O3 — CID 3462706

IUPAC3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine
SMILESCc1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H11BrN2O3/c1-9-2-7-12(13(15-9)16(17)18)19-8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3
InChIKeyIFDGERBZNBLBRL-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.64
Rot. Bonds4

About 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine

3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine (PubChem CID 3462706) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine
PubChem CID3462706
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine
SMILESCc1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H11BrN2O3/c1-9-2-7-12(13(15-9)16(17)18)19-8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3
InChIKeyIFDGERBZNBLBRL-UHFFFAOYSA-N
XLogP3.64
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-nitro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2800218
6-Methyl-3-[(4-methylbenzyl)oxy]-2-nitropyridine
CID 2800220
6-Methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
CID 3920507
3-[(2-Bromophenyl)methoxy]-6-methyl-2-nitropyridine
CID 16329444
6-Methyl-2-nitro-3-[(4-phenylphenyl)methoxy]pyridine
CID 16332535
3-[(2-Bromophenyl)methoxy]-2-nitropyridine
CID 16314653
3-[2-(4-Methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 4817566
3-[(4-Bromo-2-fluorophenyl)methoxy]-2-nitropyridine
CID 16277877
3-[2-(2-Bromo-4-chlorophenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 33291425
3-[2-[4-Bromo-2-(trifluoromethyl)phenoxy]ethoxy]-6-methyl-2-nitropyridine
CID 57396981
3-[3-(2,4-Dichlorophenyl)propoxy]-6-methyl-2-nitropyridine
CID 57400396
3-[(4-Bromophenyl)methoxy]pyridin-2-amine
CID 1485764

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine (CID 3462706) is 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine is Cc1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine?
The InChIKey is IFDGERBZNBLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-9-2-7-12(13(15-9)16(17)18)19-8-10-3-5-11(14)6-4-10/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine?
3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine has a molecular weight of 323.15 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine is sourced from PubChem (CID 3462706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).